产品名称:
N,N,N-trimethylglycyl-CoA
其他名称: N,N,N-trimethylglycyl-CoA;glycylbetainyl-CoA;glycinebetainyl-CoA;glycylbetainyl-coenzyme A;glycinebetainyl-coenzyme A;CHEBI:85888;N,N,N-trimethylglycyl-coenzyme A;Q27158769
其他名称: N,N,N-trimethylglycyl-CoA;glycylbetainyl-CoA;glycinebetainyl-CoA;glycylbetainyl-coenzyme A;glycinebetainyl-coenzyme A;CHEBI:85888;N,N,N-trimethylglycyl-coenzyme A;Q27158769
结构信息
分子式 | C26H46N8O17P3S+ | 分子量 | 867.7 | ||
IUPAC Name | [2-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxoethyl]-trimethylazanium | ||||
InChIKey | YKDFVXJTYIVYPM-ZMHDXICWSA-O | ||||
InChI | InChI=1S/C26H45N8O17P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-9-55-17(36)10-34(3,4)5)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,37-38H,6-12H2,1-5H3,(H7-,27,28,29,30,31,35,39,40,41,42,43,44,45,46)/p+1/t15-,19-,20-,21+,25-/m1/s1 | ||||
SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C[N+](C)(C)C)O |